3-[3,4-bis(oxidanyl)phenyl]-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Openeye Name: 3-(3,4-dihydroxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propanamide CAS Name: 3-(3,4-dihydroxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide IUPAC Name: 3-(3,4-dihydroxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]propanamide Traditional Name: 3-(3,4-dihydroxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]propionamide Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CCC3=CC(=C(C=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CCC3=CC(=C(C=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7/c21-13-3-1-10(5-14(13)22)2-4-17(23)19-18-8-11-6-15-16(27-9-26-15)7-12(11)20(24)25/h1,3,5-8,21-22H,2,4,9H2,(H,19,23)